4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol

C22H30O4 — CID 175307667

IUPAC4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol
SMILESCCOc1cc(CCC(C)=O)ccc1O.Cc1cc(O)ccc1C(C)C
InChIInChI=1S/C12H16O3.C10H14O/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;1-7(2)10-5-4-9(11)6-8(10)3/h6-8,14H,3-5H2,1-2H3;4-7,11H,1-3H3
InChIKeyAZIVRMOQRNQRJN-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.14
Rot. Bonds6

About 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol

4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol (PubChem CID 175307667) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol
PubChem CID175307667
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Name4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol
SMILESCCOc1cc(CCC(C)=O)ccc1O.Cc1cc(O)ccc1C(C)C
InChIInChI=1S/C12H16O3.C10H14O/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;1-7(2)10-5-4-9(11)6-8(10)3/h6-8,14H,3-5H2,1-2H3;4-7,11H,1-3H3
InChIKeyAZIVRMOQRNQRJN-UHFFFAOYSA-N
XLogP5.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone
CID 175146958
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol
CID 137372095
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
CID 66907182
4-[2-(3-ethoxy-4-hydroxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151773
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol?
The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol (CID 175307667) is 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol?
The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol is CCOc1cc(CCC(C)=O)ccc1O.Cc1cc(O)ccc1C(C)C.
What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol?
The InChIKey is AZIVRMOQRNQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C10H14O/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;1-7(2)10-5-4-9(11)6-8(10)3/h6-8,14H,3-5H2,1-2H3;4-7,11H,1-3H3.
What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol?
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol has a molecular weight of 358.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 175307667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).